2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide

C18H20F2N2O2 — CID 120588639

IUPAC2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O2/c1-12(13-7-6-10-15(11-13)24-17(19)20)22-16(23)18(2,21)14-8-4-3-5-9-14/h3-12,17H,21H2,1-2H3,(H,22,23)
InChIKeyDFRDGRGSDMBFHI-UHFFFAOYSA-N
MW334.37 g/mol
LogP3.34
Rot. Bonds6

About 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide

2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide (PubChem CID 120588639) has the molecular formula C18H20F2N2O2 and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
PubChem CID120588639
Molecular FormulaC18H20F2N2O2
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide
SMILESCC(NC(=O)C(C)(N)c1ccccc1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O2/c1-12(13-7-6-10-15(11-13)24-17(19)20)22-16(23)18(2,21)14-8-4-3-5-9-14/h3-12,17H,21H2,1-2H3,(H,22,23)
InChIKeyDFRDGRGSDMBFHI-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62488779
2-amino-2-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 120587065
2,2,2-trifluoro-N-[1-(3-propan-2-yloxyphenyl)ethyl]acetamide
CID 62729345
3-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-phenylpropanamide;hydrochloride
CID 119949773
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-3-methylbut-2-enamide
CID 94117441
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-2-enamide
CID 112727974
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414582
1-[1-[3-(difluoromethoxy)phenyl]ethyl]-3-(2-hydroxyethyl)urea
CID 110894255
1-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentane-1-carboxamide
CID 60868476
(2S)-2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]pentanamide
CID 107568388
2-(aminomethyl)-N-[1-[3-(difluoromethoxy)phenyl]ethyl]butanamide
CID 65225924

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide (CID 120588639) is 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide is CC(NC(=O)C(C)(N)c1ccccc1)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide?
The InChIKey is DFRDGRGSDMBFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2/c1-12(13-7-6-10-15(11-13)24-17(19)20)22-16(23)18(2,21)14-8-4-3-5-9-14/h3-12,17H,21H2,1-2H3,(H,22,23).
What are the key properties of 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide?
2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide has a molecular weight of 334.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-phenylpropanamide is sourced from PubChem (CID 120588639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).